N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide

C17H20N4O3S — CID 18976412

IUPACN-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)c1cc(-c2ccccc2)c(S(N)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C17H20N4O3S/c1-10(2)12-8-13(11-6-4-3-5-7-11)15(25(20,23)24)9-14(12)16(22)21-17(18)19/h3-10H,1-2H3,(H2,20,23,24)(H4,18,19,21,22)
InChIKeyHCTDDGLQPCVIKL-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.54
Rot. Bonds4

About N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide

N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide (PubChem CID 18976412) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
PubChem CID18976412
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)c1cc(-c2ccccc2)c(S(N)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C17H20N4O3S/c1-10(2)12-8-13(11-6-4-3-5-7-11)15(25(20,23)24)9-14(12)16(22)21-17(18)19/h3-10H,1-2H3,(H2,20,23,24)(H4,18,19,21,22)
InChIKeyHCTDDGLQPCVIKL-UHFFFAOYSA-N
XLogP1.54
TPSA141.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide (CID 18976412) is N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide is CC(C)c1cc(-c2ccccc2)c(S(N)(=O)=O)cc1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
The InChIKey is HCTDDGLQPCVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10(2)12-8-13(11-6-4-3-5-7-11)15(25(20,23)24)9-14(12)16(22)21-17(18)19/h3-10H,1-2H3,(H2,20,23,24)(H4,18,19,21,22).
What are the key properties of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 18976412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).